PCW-A1001, AI-assisted de novo design approach to design a selective inhibitor for FLT-3(D835Y) in acute myeloid leukemia

PCW-A1001, AI-assisted de novo design approach to design a selective inhibitor for FLT-3(D835Y) in acute myeloid leukemia

Treating acute myeloid leukemia (AML) by targeting FMS-like tyrosine kinase 3 (FLT-3) is considered an effective treatment strategy. By using AI-assisted hit optimization, we discovered a novel and highly selective compound with desired drug-like properties with which to target the FLT-3 (D835Y) mut...

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Bibliographic Details
Main Authors: Seong Hun Jang, Dakshinamurthy Sivakumar, Sathish Kumar Mudedla, Jaehan Choi, Sungmin Lee, Minjun Jeon, Suneel Kumar Bvs, Jinha Hwang, Minsung Kang, Eun Gyeong Shin, Kyu Myung Lee, Kwan-Young Jung, Jae-Sung Kim, Sangwook Wu
Format: Article
Language:English
Published: Frontiers Media S.A. 2022-11-01
Series:Frontiers in Molecular Biosciences
Subjects:
FLT-3
AML
kinase inhibitors
de novo drug design
LSTM
AI
Online Access:https://www.frontiersin.org/articles/10.3389/fmolb.2022.1072028/full

Internet

https://www.frontiersin.org/articles/10.3389/fmolb.2022.1072028/full

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